- InChI
- InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- PBSUMBYSVFTMNG-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- O=C(O)c1cccc(CCl)c1
- Molecular Weight1
- 170.59
- CAS
- 31719-77-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -158.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.124 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 597.58 | K | Joback Calculated Property |
| Tc | 809.04 | K | Joback Calculated Property |
| Tfus | 359.53 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.49; 301.02] | J/mol×K | [597.58; 809.04] | 
|
| Cp,gas | 257.49 | J/mol×K | 597.58 | Joback Calculated Property |
| Cp,gas | 266.08 | J/mol×K | 632.82 | Joback Calculated Property |
| Cp,gas | 274.10 | J/mol×K | 668.07 | Joback Calculated Property |
| Cp,gas | 281.58 | J/mol×K | 703.31 | Joback Calculated Property |
| Cp,gas | 288.55 | J/mol×K | 738.55 | Joback Calculated Property |
| Cp,gas | 295.02 | J/mol×K | 773.80 | Joback Calculated Property |
| Cp,gas | 301.02 | J/mol×K | 809.04 | Joback Calculated Property |
| η | [0.0001073; 0.0036481] | Pa×s | [359.53; 597.58] |
|
| η | 0.0036481 | Pa×s | 359.53 | Joback Calculated Property |
| η | 0.0015134 | Pa×s | 399.21 | Joback Calculated Property |
| η | 0.0007361 | Pa×s | 438.88 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 478.55 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 518.23 | Joback Calculated Property |
| η | 0.0001567 | Pa×s | 557.90 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 597.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C8H7ClO2.
Sources
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